A C(Pi-Hole)Center Dot Center Dot Center Dot Cl-Zn Tetrel Interaction Driving A Metal-Organic Supramolecular Assembly

Carmen Ramirez De Arellano,Rosa Adam,Rafael Ballesteros-Garrido,Belen Abarca,Rafael Ballesteros,Ibon Alcorta, Jose Elguero,Emilio Escriva

CrystEngComm（2020）

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摘要

A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(pi-hole)center dot center dot center dot Cl-Zn tetrel interaction that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2)(2)(mu-bptpy)(2)] crystals. Supramolecular chains are formed through C-H center dot center dot center dot X interactions. The observed interactions are supported by DFT calculations using model dimers.

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关键词

metal–organic supramolecular assembly,cπ-hole⋯cl–zn tetrel interaction

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